methyl 3-(2-hydroxyethylamino)propanoate

C6H13NO3 — CID 22352926

IUPACmethyl 3-(2-hydroxyethylamino)propanoate
SMILESCOC(=O)CCNCCO
InChIInChI=1S/C6H13NO3/c1-10-6(9)2-3-7-4-5-8/h7-8H,2-5H2,1H3
InChIKeyNVWRPRPMWJZSPL-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.87
Rot. Bonds5

About methyl 3-(2-hydroxyethylamino)propanoate

methyl 3-(2-hydroxyethylamino)propanoate (PubChem CID 22352926) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is methyl 3-(2-hydroxyethylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-hydroxyethylamino)propanoate
PubChem CID22352926
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Namemethyl 3-(2-hydroxyethylamino)propanoate
SMILESCOC(=O)CCNCCO
InChIInChI=1S/C6H13NO3/c1-10-6(9)2-3-7-4-5-8/h7-8H,2-5H2,1H3
InChIKeyNVWRPRPMWJZSPL-UHFFFAOYSA-N
XLogP-0.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-beta-alanine
CID 222905
3-[(3-Hydroxypropyl)amino]propanoic acid
CID 13973648
Methyl 3-[(2-methoxyethyl)amino]propanoate
CID 28307088
Ethyl N-ethyl-beta-alaninate
CID 90223
Methyl N-ethyl-beta-alaninate
CID 76973
tert-Butyl 3-((2-hydroxyethyl)amino)propanoate
CID 18693831
3-(2-Hydroxyethylazaniumyl)propanoate
CID 36690572
3-[(2-Methoxyethyl)amino]propanoic acid hydrochloride
CID 137935302
Methyl 3-(propylamino)propanoate
CID 10630640
Bis(2-hydroxyethyl)ammonium propionate
CID 21902849
3-Methoxypropylglycine
CID 43153282
N-(2-Hydroxyethyl)-beta-alanine ethyl ester
CID 43389829

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-hydroxyethylamino)propanoate?
The IUPAC name of methyl 3-(2-hydroxyethylamino)propanoate (CID 22352926) is methyl 3-(2-hydroxyethylamino)propanoate.
What is the SMILES notation for methyl 3-(2-hydroxyethylamino)propanoate?
The canonical SMILES for methyl 3-(2-hydroxyethylamino)propanoate is COC(=O)CCNCCO.
What is the InChIKey of methyl 3-(2-hydroxyethylamino)propanoate?
The InChIKey is NVWRPRPMWJZSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-10-6(9)2-3-7-4-5-8/h7-8H,2-5H2,1H3.
What are the key properties of methyl 3-(2-hydroxyethylamino)propanoate?
methyl 3-(2-hydroxyethylamino)propanoate has a molecular weight of 147.17 g/mol, XLogP of -0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-hydroxyethylamino)propanoate is sourced from PubChem (CID 22352926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).